Hi Dan,
The numbering of the residues was a bit different between them because I prepared them a bit differently.
Ranim
________________________________
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Tuesday, May 26, 2020 10:54 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] clustering parameter files
Hi,
I'm not sure I understand the issue. If they are the same structure
the they should work with the same topology, right?
-Dan
On Mon, May 25, 2020 at 10:36 AM Ranim Maaieh
<ranim.maaieh.mail.utoronto.ca> wrote:
>
> Hi all,
>
> Is it possible to use cpptraj to do combined clustering on simulations with different parameter files using parameter tagging? In this case, they are the same structure but the loops of the structure were initially modeled a bit differently therefore they have different starting structures. If not could I cluster using the same parameter file?
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Received on Sun Jun 07 2020 - 17:00:01 PDT
